8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)

C17H37N2OS3Tc — CID 23276515

IUPAC8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
SMILESCCN(CC)CCCCCCCC[S-].CN(CC[S-])CC[S-].O=[Tc+3]
InChIInChI=1S/C12H27NS.C5H13NS2.O.Tc/c1-3-13(4-2)11-9-7-5-6-8-10-12-14;1-6(2-4-7)3-5-8;;/h14H,3-12H2,1-2H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3
InChIKeyUOSMSSHBGDIZEV-UHFFFAOYSA-K
MW479.70 g/mol
LogP3.11
Rot. Bonds14

About 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)

8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) (PubChem CID 23276515) has the molecular formula C17H37N2OS3Tc and a molecular weight of 479.70 g/mol. Its IUPAC name is 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+).

Molecular Properties

Compound Name8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
PubChem CID23276515
Molecular FormulaC17H37N2OS3Tc
Molecular Weight479.70 g/mol
Exact Mass478.11
IUPAC Name8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
SMILESCCN(CC)CCCCCCCC[S-].CN(CC[S-])CC[S-].O=[Tc+3]
InChIInChI=1S/C12H27NS.C5H13NS2.O.Tc/c1-3-13(4-2)11-9-7-5-6-8-10-12-14;1-6(2-4-7)3-5-8;;/h14H,3-12H2,1-2H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3
InChIKeyUOSMSSHBGDIZEV-UHFFFAOYSA-K
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
CID 10813519
2-(diethylamino)ethanethiolate;yttrium
CID 177191246
N'-[3-[3-[butyl(ethyl)amino]propyl-ethylamino]propyl]-N,N'-dimethyl-N-[3-[methyl(octyl)amino]propyl]butane-1,4-diamine
CID 91145373
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
N',N'-diethylnonane-1,9-diamine
CID 22055140
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine
CID 159594250

Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
The IUPAC name of 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) (CID 23276515) is 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+).
What is the SMILES notation for 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
The canonical SMILES for 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) is CCN(CC)CCCCCCCC[S-].CN(CC[S-])CC[S-].O=[Tc+3].
What is the InChIKey of 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
The InChIKey is UOSMSSHBGDIZEV-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H27NS.C5H13NS2.O.Tc/c1-3-13(4-2)11-9-7-5-6-8-10-12-14;1-6(2-4-7)3-5-8;;/h14H,3-12H2,1-2H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3.
What are the key properties of 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) has a molecular weight of 479.70 g/mol, XLogP of 3.11, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) is sourced from PubChem (CID 23276515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).